choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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The __getitem__ method doesn't return forces #127

Closed wiederm closed 1 month ago

wiederm commented 1 month ago

While testing training on forces, I noticed that while forces are present in the datasets, these are not accessible using the normal getitem call.